1,3-dihydroindol-2-one;trihydrochloride

C8H10Cl3NO — CID 66960013

IUPAC1,3-dihydroindol-2-one;trihydrochloride
SMILESCl.Cl.Cl.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.3ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;;/h1-4H,5H2,(H,9,10);3*1H
InChIKeyCTFTYWUVRNAEKD-UHFFFAOYSA-N
MW242.53 g/mol
LogP2.45
Rot. Bonds

About 1,3-dihydroindol-2-one;trihydrochloride

1,3-dihydroindol-2-one;trihydrochloride (PubChem CID 66960013) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;trihydrochloride.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;trihydrochloride
PubChem CID66960013
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name1,3-dihydroindol-2-one;trihydrochloride
SMILESCl.Cl.Cl.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.3ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;;/h1-4H,5H2,(H,9,10);3*1H
InChIKeyCTFTYWUVRNAEKD-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,3-dihydroindol-2-one;imidazolidin-2-one
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CID 137366999
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1,3-dihydroindol-2-one;2-hydroxybutanedioic acid
CID 66903255
1,3-dihydroindol-2-one;1,2-dimethylimidazole
CID 143871997
3,4-dihydro-1H-quinolin-2-one;ethane
CID 90913605
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;trihydrochloride?
The IUPAC name of 1,3-dihydroindol-2-one;trihydrochloride (CID 66960013) is 1,3-dihydroindol-2-one;trihydrochloride.
What is the SMILES notation for 1,3-dihydroindol-2-one;trihydrochloride?
The canonical SMILES for 1,3-dihydroindol-2-one;trihydrochloride is Cl.Cl.Cl.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;trihydrochloride?
The InChIKey is CTFTYWUVRNAEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.3ClH/c10-8-5-6-3-1-2-4-7(6)9-8;;;/h1-4H,5H2,(H,9,10);3*1H.
What are the key properties of 1,3-dihydroindol-2-one;trihydrochloride?
1,3-dihydroindol-2-one;trihydrochloride has a molecular weight of 242.53 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;trihydrochloride is sourced from PubChem (CID 66960013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).